Scopararane I
| Internal ID | 264f2091-51a1-433b-ba6f-4283e148abbe |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbonyl compounds > Cyclic ketones > Cyclohexenones |
| IUPAC Name | [(1S,5R,6S,9R,11R,12R)-12-acetyloxy-5-ethenyl-6,9-dihydroxy-5,11-dimethyl-8-oxo-11-tetracyclo[8.5.0.01,14.02,7]pentadec-2(7)-enyl]methyl 2-methylpropanoate |
| SMILES (Canonical) | CC(C)C(=O)OCC1(C(CC2CC23C1C(C(=O)C4=C3CCC(C4O)(C)C=C)O)OC(=O)C)C |
| SMILES (Isomeric) | CC(C)C(=O)OC[C@@]1([C@@H](CC2C[C@@]23C1[C@H](C(=O)C4=C3CC[C@]([C@@H]4O)(C)C=C)O)OC(=O)C)C |
| InChI | InChI=1S/C26H36O7/c1-7-24(5)9-8-16-18(22(24)30)19(28)20(29)21-25(6,12-32-23(31)13(2)3)17(33-14(4)27)10-15-11-26(15,16)21/h7,13,15,17,20-22,29-30H,1,8-12H2,2-6H3/t15?,17-,20+,21?,22-,24+,25-,26-/m1/s1 |
| InChI Key | YVANLSBUDIGWKW-JUZVTWBDSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C26H36O7 |
| Molecular Weight | 460.60 g/mol |
| Exact Mass | 460.24610348 g/mol |
| Topological Polar Surface Area (TPSA) | 110.00 Ų |
| XlogP | 2.80 |
| There are no found synonyms. |
| Target | Value | Probability (raw) | Probability (%) |
|---|---|---|---|
| No predicted properties yet! | |||
Proven Targets:
| CHEMBL ID | UniProt ID | Name | Min activity | Assay type | Source |
|---|---|---|---|---|---|
| No proven targets yet! | |||||
Predicted Targets (via Super-PRED):
| CHEMBL ID | UniProt ID | Name | Probability | Model accuracy |
|---|---|---|---|---|
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 98.34% | 94.45% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.90% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.94% | 96.09% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 93.05% | 97.25% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.53% | 98.95% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 90.13% | 91.24% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 89.76% | 97.09% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 87.98% | 91.07% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 86.49% | 91.19% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 85.81% | 82.69% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 84.54% | 95.56% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 83.78% | 100.00% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 83.75% | 89.50% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 83.09% | 86.33% |
| CHEMBL5028 | O14672 | ADAM10 | 82.64% | 97.50% |
| CHEMBL3572 | P11597 | Cholesteryl ester transfer protein | 81.89% | 92.67% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 81.40% | 92.62% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 81.13% | 95.89% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 80.66% | 94.33% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 80.63% | 93.00% |
| CHEMBL259 | P32245 | Melanocortin receptor 4 | 80.56% | 95.38% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 80.39% | 98.03% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
To see more specific details click the taxa you are interested in.
To see more specific details click the taxa you are interested in.
| There are no matching plants. |
| PubChem | 139591598 |
| LOTUS | LTS0174553 |
| wikiData | Q105365124 |